SCHEMBL17618718

SCHEMBL17618718

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 8/20 0.36
▸ WDR77 Q9BQA1 8/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16776268 0.90 PRMT5 (0.35) PRMT5WDR77SCN10ACLK2CLK3
SCHEMBL17618691 0.89 ABL1 (0.38) DYRK1AMAPTMAPK1PIM2
SCHEMBL17618674 0.89 PIM2 (0.43) MAPTPIM2HTR2AHTR2CHTR2B
SCHEMBL17618608 0.89 SCN10A (0.38) SCN10ADGAT2CLK2CLK3DYRK1A
SCHEMBL19365348 0.89 PIM2 (0.34) DGAT2CLK2CLK3DYRK1AROCK2
SCHEMBL17618636 0.89 SCN10A (0.39) SCN10ACLK2CLK3DYRK1ABTK
SCHEMBL17618725 0.89 ALDH1A1 (0.43) PRMT5WDR77MAPTBTKPIM2
SCHEMBL16754551 0.88 ROCK2 (0.38) CLK2CLK3DYRK1AHCRTR1ROCK2
SCHEMBL19365349 0.88 CDK9 (0.35) CLK2CLK3DYRK1ABTKPIM2
SCHEMBL17618740 0.88 ABL1 (0.38) SCN10ADGAT2CLK2CLK3DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRMT5 263/4885WDR77 1316/4885SCN10A 3357/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRMT5 209/4885WDR77 1434/4885SCN10A 3878/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PRMT5 209/4885WDR77 1434/4885SCN10A 3878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback